* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     414
    1     0 S   NP   _N1_     1    28.82622    97.68514   -21.63936
    2     1 S   H    _HN1     2     1.02950    68.06520    22.10397
    3     1 S   H    _H1_     3     1.02829    49.76169   161.17185
    4     1 S   H    _H2_     4     1.02784    91.98712   -86.90914
    5     1 S   CT   _CA1     5     1.50107   154.04271   113.90428
    6     5 S   HC   _HA1     6     1.09572   105.20967    96.07375
    7     5 S   CO3  _C1_     7     1.53794   112.45595   -24.18058
    8     7 S   O2Z  _O11     8     1.26371   115.01064   -42.78446
    9     7 S   O2Z  _O12     9     1.26241   114.94701   136.39048
   10     5 S   CT   _CB1    10     1.53084   107.42583  -145.93626
   11    10 S   HC   HB11    11     1.09830   109.39327   -49.83003
   12    10 S   HC   HB12    12     1.09814   110.43483    66.78195
   13    10 S   CT   _CG1    13     1.52982   112.59428  -170.82095
   14    13 S   HC   HG11    14     1.09586   110.59709   -64.91879
   15    13 S   HC   HG12    15     1.09668   109.82308    54.30915
   16    13 S   C    _CD1    16     1.51794   112.27843   174.76606
   17    16 S   O    _OE1    17     1.22722   123.30812     5.03053
   18    16 S   N    _N2_    18     1.38646   111.62504  -175.05399
   19    18 S   H    _HN2    19     1.01581   118.92688     1.95154
   20    18 S   CT1  _CA2    20     1.46210   123.41498   178.05781
   21    20 S   HC   _HA2    21     1.09736   109.40873     1.48714
   22    20 S   C    _C2_    22     1.53534   108.54607  -114.02462
   23    22 S   O    _O2_    23     1.23055   122.29538  -147.66499
   24    20 S   CT   _CB2    32     1.53449   111.49586   123.55608
   25    24 S   HC   HB21    33     1.09440   109.59997    56.34449
   26    24 S   HC   HB22    34     1.09426   109.77180   175.28632
   27    22 S   N    _N3_    24     1.38333   113.67776    39.76058
   28    27 S   H    _HN3    25     1.01593   119.57871    -3.29467
   29    24 S   S    _SG2    35     1.82949   111.16746   -65.19689
   30    27 S   CT   _CA3    26     1.45288   123.19259   177.12152
   31    30 S   HC   HA31    27     1.09550   107.50762   -64.58259
   32    30 S   HC   HA32    28     1.09557   107.98305    51.84931
   33    29 S   CT   _C15    36     1.85347   101.86505   170.10459
   34    30 S   CO3  _C3_    29     1.52955   114.09548   173.84967
   35    34 S   O2Z  _O31    30     1.26373   116.06814    -0.65611
   36    34 S   O2Z  _O32    31     1.26429   114.41154   179.40422
   37    33 S   CT   _C9_    37     1.53620   109.55990   -62.46688
   38    37 S   HC   _H22    38     1.09402   113.00125    88.12962
   39    37 S   HC   _H23    39     1.09568   113.81959   -38.25638
   40    33 S   CT   _C18    69     1.54259   110.03558    58.32247
   41    40 S   HC   _H36    70     1.09499   112.33154    52.12012
   42    40 S   HC   _H37    71     1.09546   111.86133   -68.74482
   43    40 S   HC   _H38    72     1.09615   111.29770   172.59535
   44    37 S   CO4  _C6_    40     1.49736   101.52226  -154.04983
   45    44 S   O    _O16    41     1.22061   123.47429  -149.11423
   46    44 S   CM   _C4_    42     1.50267   110.24507    31.02723
   47    46 S   CM   _C5_    43     1.35009   123.97869   163.51475
   48    33 S   CT   _C11    59     1.57577   109.72089  -176.26855
   49    48 S   HC   _H26    60     1.10061   108.00036    34.62901
   50    47 S   CT   _C8_    44     1.51819   124.72222  -177.01699
   51    50 S   HC   _H20    45     1.09776   108.39703    80.47872
   52    50 S   HC   _H21    46     1.09885   108.38685  -165.56687
   53    47 S   CT   _C16    65     1.51455   123.26112    -1.85499
   54    53 S   HC   _H30    66     1.09428   110.16884    94.23340
   55    53 S   HC   _H31    67     1.09186   113.35754   -28.83795
   56    53 S   HC   _H32    68     1.09640   110.76971  -146.22739
   57    50 S   CT   _C10    47     1.52688   118.42776   -45.83303
   58    57 S   HC   _H24    48     1.09709   107.54070  -169.81700
   59    57 S   HC   _H25    49     1.09736   109.99565   -54.52784
   60    57 S   CT   _C13    50     1.51934   112.93149    69.93411
   61    60 S   HC   _H28    51     1.09961   109.99701    46.75947
   62    60 S   CT   _C12    52     1.52662   113.91764   169.03305
   63    62 S   HC   _H27    53     1.09656   111.40159    41.87319
   64    62 S   CO4  _C7_    54     1.50788   101.02766   156.31389
   65    64 S   O    _O17    55     1.22068   126.28819   161.01686
   66    62 S   CT   _C17    61     1.51916   113.27257   -83.61790
   67    66 S   HC   _H33    62     1.09566   111.50769   -58.50685
   68    66 S   HC   _H34    63     1.09541   110.56806  -177.65557
   69    66 S   HC   _H35    64     1.09411   111.21716    62.46717
   70    64 S   OS   _O18    56     1.36817   109.30288   -19.97265
   71    60 S   CT   _C14    57     1.51741   112.71158   -76.34683
   72    71 S   HC   _H29    58     1.09851   110.63904   -46.66545
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  17   2   1   1  13   6   5   8   3   2   1   8   3  15  14  11
   4  13   6   5   4   2   1   1  11   5   4  12   7  10   8   8
   3   5   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    46    71    48    49    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    60    70    71    72    48    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    71    48    49    40    41    42    43  
   39    44    45    46    48    40  
   44    45    46    48    40  
   41    42    43    44    46    48    49    71  
   42    43    48  
   43    48  
   48  
   45    46    47    50    71    48    49    53  
   46    47    48  
   47    50    51    52    57    60    70    71    72    48    49    53    54    55    56  
   50    51    52    57    58    59    60    71    48    49    53    54    55    56  
   49    53    50    57    60    61    62    64    70    71    72  
   60    70    71    72  
   51    52    57    58    59    60    61    62    71    53    54    55    56  
   52    57    58    59    60    53  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    70    71    72    66  
   59    60    61    62    71  
   60    61    62    71  
   61    62    63    64    65    70    71    72    66    67    68    69  
   62    63    64    70    71    72    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    71    66    67    68    69  
   65    70    71    72    66    67    68    69  
   70    71    66  
   67    68    69    70    71  
   68    69  
   69  
    0  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    48   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   549.000  1.340
   46    48   317.000  1.510
   47    50   317.000  1.510
   47    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    71   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   268.000  1.529
   64    65   570.000  1.229
   64    70   214.000  1.327
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    48   268.000  1.529
   48    49   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    48    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    48    46    70.00000  112.02700
   33    48    71    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    65.00000  118.62400
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    65.00000  118.96000
   44    46    48    65.00000  116.34900
   46    44    45    80.00000  123.72100
   46    47    50    70.00000  124.00000
   46    47    53    70.00000  124.00000
   46    48    71    70.00000  112.02700
   46    48    49    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    70.00000  112.02700
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    63.00000  111.10000
   60    62    66    58.35000  112.70000
   60    71    70    50.00000  109.50000
   60    71    72    37.50000  110.70000
   60    71    48    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    64    65    80.00000  120.40000
   62    64    70    81.00000  111.40000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    70    71    83.00000  116.90000
   70    64    65    83.00000  123.40000
   70    71    72    35.00000  109.50000
   70    71    48    50.00000  109.50000
   71    60    61    37.50000  110.70000
   71    60    62    58.35000  112.70000
   71    48    49    37.50000  110.70000
   48    33    37    58.35000  112.70000
   48    46    47    70.00000  124.00000
   48    71    72    37.50000  110.70000
   66    62    63    37.50000  110.70000
   66    62    64    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    47    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    71   0.44750  1.0 1.0
   29    33    48    71  -0.17800 -1.0 2.0
   29    33    48    71   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37   -44    46   0.65300  1.0 1.0
   33    37   -44    46  -0.03850 -1.0 2.0
   33    37   -44    46   0.33900  1.0 3.0
   37    33   -48    46   0.34400  1.0 1.0
   37    33   -48    46   0.09450 -1.0 2.0
   37    33   -48    46   0.11100  1.0 3.0
   37    33    48    71   0.56750  1.0 1.0
   37    33    48    71  -0.07550 -1.0 2.0
   37    33    48    71   0.20000  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47  -0.33500  1.0 1.0
   37    44    46    47   1.06600 -1.0 2.0
   37    44    46    47  -0.14000  1.0 3.0
   37    44   -46    48   0.25700  1.0 1.0
   37    44   -46    48   0.66200 -1.0 2.0
   37    44   -46    48   0.04450  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    47    50   7.00000 -1.0 2.0
   44    46    47    53   7.00000 -1.0 2.0
   44    46   -48    33   0.09700  1.0 1.0
   44    46   -48    33   0.15600 -1.0 2.0
   44    46   -48    33  -0.50800  1.0 3.0
   44    46    48    71   0.09700  1.0 1.0
   44    46    48    71   0.15600 -1.0 2.0
   44    46    48    71  -0.50800  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   45    44    46    47   1.00000 -1.0 2.0
   45    44    46    48  -0.64400  1.0 1.0
   45    44    46    48   0.26850 -1.0 2.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    52   0.00000  1.0 1.0
   46    47    50    57   0.09850  1.0 1.0
   46    47    50    57   0.15250 -1.0 2.0
   46    47    50    57  -0.50650  1.0 3.0
   46    47    53    54   0.00000  1.0 1.0
   46    47    53    55   0.00000  1.0 1.0
   46    47    53    56   0.00000  1.0 1.0
   47    46    48    33   0.09850  1.0 1.0
   47    46    48    33   0.15250 -1.0 2.0
   47    46    48    33  -0.50650  1.0 3.0
   47    46    48    71   0.09850  1.0 1.0
   47    46    48    71   0.15250 -1.0 2.0
   47    46    48    71  -0.50650  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.34400  1.0 1.0
   47    50    57    60   0.09450 -1.0 2.0
   47    50    57    60   0.11100  1.0 3.0
   50    47    53    54   0.34800  1.0 3.0
   50    47    53    55   0.34800  1.0 3.0
   50    47    53    56   0.34800  1.0 3.0
   50    57    60    61   0.15000  1.0 3.0
   50    57    60    62   0.56750  1.0 1.0
   50    57    60    62  -0.07550 -1.0 2.0
   50    57    60    62   0.20000  1.0 3.0
   50    57    60    71   0.56750  1.0 1.0
   50    57    60    71  -0.07550 -1.0 2.0
   50    57    60    71   0.20000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    64  -0.95700  1.0 1.0
   57    60    62    64  -0.18200 -1.0 2.0
   57    60    62    64   0.29450  1.0 3.0
   57    60    62    66   0.56750  1.0 1.0
   57    60    62    66  -0.07550 -1.0 2.0
   57    60    62    66   0.20000  1.0 3.0
   57    60    71    70   0.62750  1.0 1.0
   57    60    71    70  -0.30950 -1.0 2.0
   57    60    71    70   0.27300  1.0 3.0
   57    60    71    72   0.15000  1.0 3.0
   57    60    71    48   0.56750  1.0 1.0
   57    60    71    48  -0.07550 -1.0 2.0
   57    60    71    48   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    71   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    71   0.15000  1.0 3.0
   60    62    64    65   0.30150 -1.0 2.0
   60    62   -64    70   0.36750  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    68   0.15000  1.0 3.0
   60    62    66    69   0.15000  1.0 3.0
   60    71    48    33   0.56750  1.0 1.0
   60    71    48    33  -0.07550 -1.0 2.0
   60    71    48    33   0.20000  1.0 3.0
   60    71    48    46   0.34400  1.0 1.0
   60    71    48    46   0.09450 -1.0 2.0
   60    71    48    46   0.11100  1.0 3.0
   60    71    48    49   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64  -0.11250  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    71    70   0.23400  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    48   0.15000  1.0 3.0
   62    60   -71    70   0.62750  1.0 1.0
   62    60   -71    70  -0.30950 -1.0 2.0
   62    60   -71    70   0.27300  1.0 3.0
   62    60    71    72   0.15000  1.0 3.0
   62    60    71    48   0.56750  1.0 1.0
   62    60    71    48  -0.07550 -1.0 2.0
   62    60    71    48   0.20000  1.0 3.0
   62    64   -70    71   1.63150  1.0 1.0
   62    64   -70    71   2.92000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    70   0.00000  1.0 1.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   64    62    66    67  -0.11250  1.0 3.0
   64    62    66    68  -0.11250  1.0 3.0
   64    62    66    69  -0.11250  1.0 3.0
   64    70   -71    60  -0.25900  1.0 1.0
   64    70   -71    60  -0.47000 -1.0 2.0
   64    70   -71    60   0.11750  1.0 3.0
   64    70    71    72   0.08050  1.0 3.0
   64    70    71    48  -0.25900  1.0 1.0
   64    70    71    48  -0.47000 -1.0 2.0
   64    70    71    48   0.11750  1.0 3.0
   65    64    70    71   3.00000 -1.0 2.0
   70    71    48    33   0.62750  1.0 1.0
   70    71    48    33  -0.30950 -1.0 2.0
   70    71    48    33   0.27300  1.0 3.0
   70    71    48    46   0.61850  1.0 1.0
   70    71    48    46  -0.22750 -1.0 2.0
   70    71    48    46   0.15300  1.0 3.0
   70    71    48    49   0.23400  1.0 3.0
   71    60    62    63   0.15000  1.0 3.0
   71    60   -62    64  -0.95700  1.0 1.0
   71    60   -62    64  -0.18200 -1.0 2.0
   71    60   -62    64   0.29450  1.0 3.0
   71    60    62    66   0.56750  1.0 1.0
   71    60    62    66  -0.07550 -1.0 2.0
   71    60    62    66   0.20000  1.0 3.0
   72    71    48    33   0.15000  1.0 3.0
   72    71    48    46   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   48    33    37    38   0.15000  1.0 3.0
   48    33    37    39   0.15000  1.0 3.0
   48    33   -37    44  -0.95700  1.0 1.0
   48    33   -37    44  -0.18200 -1.0 2.0
   48    33   -37    44   0.29450  1.0 3.0
   48    33    40    41   0.15000  1.0 3.0
   48    33    40    42   0.15000  1.0 3.0
   48    33    40    43   0.15000  1.0 3.0
   48    46    47    50   7.00000 -1.0 2.0
   48    46    47    53   7.00000 -1.0 2.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    70   0.36750  1.0 3.0
   53    47    50    51   0.34800  1.0 3.0
   53    47    50    52   0.34800  1.0 3.0
   53    47    50    57   0.46850  1.0 1.0
   53    47    50    57   0.08550 -1.0 2.0
   53    47    50    57   0.09800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    48    46   0.34400  1.0 1.0
   40    33    48    46   0.09450 -1.0 2.0
   40    33    48    46   0.11100  1.0 3.0
   40    33    48    71   0.56750  1.0 1.0
   40    33    48    71  -0.07550 -1.0 2.0
   40    33    48    71   0.20000  1.0 3.0
   40    33    48    49   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
   44    48    46    47   1.10000 -1.0 2.0
   50    53    47    46   1.10000 -1.0 2.0
   62    70    64    65  10.50000 -1.0 2.0
END
